N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane

C33H51N5O5S2 — CID 143504715

IUPACN-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane
SMILESCC1(NC(=O)c2ccc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)cc2)CCCCC1.CCSC.COC(=O)CNC=O
InChIInChI=1S/C26H36N4O2S.C4H7NO3.C3H8S/c1-26(11-3-2-4-12-26)28-24(31)21-7-5-20(6-8-21)23-19-33-25(27-23)30-13-9-22(10-14-30)29-15-17-32-18-16-29;1-8-4(7)2-5-3-6;1-3-4-2/h5-8,19,22H,2-4,9-18H2,1H3,(H,28,31);3H,2H2,1H3,(H,5,6);3H2,1-2H3
InChIKeyKTAXBGVJBSPRNZ-UHFFFAOYSA-N
MW661.94 g/mol
LogP4.84
Rot. Bonds9

About N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane

N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane (PubChem CID 143504715) has the molecular formula C33H51N5O5S2 and a molecular weight of 661.94 g/mol. Its IUPAC name is N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane.

Molecular Properties

Compound NameN-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane
PubChem CID143504715
Molecular FormulaC33H51N5O5S2
Molecular Weight661.94 g/mol
Exact Mass661.33
IUPAC NameN-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane
SMILESCC1(NC(=O)c2ccc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)cc2)CCCCC1.CCSC.COC(=O)CNC=O
InChIInChI=1S/C26H36N4O2S.C4H7NO3.C3H8S/c1-26(11-3-2-4-12-26)28-24(31)21-7-5-20(6-8-21)23-19-33-25(27-23)30-13-9-22(10-14-30)29-15-17-32-18-16-29;1-8-4(7)2-5-3-6;1-3-4-2/h5-8,19,22H,2-4,9-18H2,1H3,(H,28,31);3H,2H2,1H3,(H,5,6);3H2,1-2H3
InChIKeyKTAXBGVJBSPRNZ-UHFFFAOYSA-N
XLogP4.84
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.94
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[1-[[4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzoyl]amino]cyclohexanecarbonyl]amino]propanoate
CID 154554246
methyl 1-[[4-[2-(4-morpholin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoyl]amino]cyclohexane-1-carboxylate
CID 67182490
4-[2-(4-morpholin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-[1-[2-(2-oxoethylamino)benzoyl]cyclohexyl]benzamide
CID 87301008
2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide
CID 117084002
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
4-[4-[4-[[1-(cyanomethylcarbamoyl)cyclohexyl]carbamoyl]phenyl]-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 87953719
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea
CID 166240344
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate
CID 154750161
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 68685905
(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037663

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane?
The IUPAC name of N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane (CID 143504715) is N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane.
What is the SMILES notation for N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane?
The canonical SMILES for N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane is CC1(NC(=O)c2ccc(-c3csc(N4CCC(N5CCOCC5)CC4)n3)cc2)CCCCC1.CCSC.COC(=O)CNC=O.
What is the InChIKey of N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane?
The InChIKey is KTAXBGVJBSPRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2S.C4H7NO3.C3H8S/c1-26(11-3-2-4-12-26)28-24(31)21-7-5-20(6-8-21)23-19-33-25(27-23)30-13-9-22(10-14-30)29-15-17-32-18-16-29;1-8-4(7)2-5-3-6;1-3-4-2/h5-8,19,22H,2-4,9-18H2,1H3,(H,28,31);3H,2H2,1H3,(H,5,6);3H2,1-2H3.
What are the key properties of N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane?
N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane has a molecular weight of 661.94 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohexyl)-4-[2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide;methyl 2-formamidoacetate;methylsulfanylethane is sourced from PubChem (CID 143504715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).